<div dir="ltr">Dear all, <div><br></div><div>I am trying to test a ultrasoft pseudopotentials, (from PP library online): </div><div><br></div><div>Ba.pbe-nsp-van.UPF<br></div><div>Ba.pw91-nsp-van.UPF<br></div><div><br></div>
<div>I am testing for transferability, and have successfully tested several other PAW and ultrasoft PPs, however for the two above I continually get the following error output: </div><div><br></div><div><br></div><div><div>
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div>     Error in routine read_pseudoup (1):</div><div>     mesh not supported</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
</div><div><br></div><div><br></div><div>please see my input below. Any advice would be much appreciated. </div><div><br></div><div>Kind Regards </div><div><br></div><div>Zarah Baiyee</div><div><br></div><div>PhD Candidate.</div>
<div><br></div><div><br></div><div><div>&input</div><div>   title='Ba',</div><div>   zed=56.,</div><div>   rel=1,</div><div>   config='[Kr] 4d10.0 5s2.0 5p6.0 6s2.0 5d0.0 6p0.0',</div><div>   iswitch=2,</div>
<div> /</div><div> &test</div><div>   file_pseudo='/Users/zarahbaiyee/espresso-5.0.2/pseudo/Ba.pw91-nsp-van.UPF'</div><div>   nconf=3,</div><div>   frozen_core=.false.,</div><div>   configts(1)='5s2 5p6 6s2'</div>
<div>   configts(2)='5s2 5p6 6s1'</div><div>   configts(3)='5s2 5p6 6s0'</div><div>   ecutmin=30, ecutmax=150, decut=20</div><div> /</div></div></div>